azocan-1-yl(piperidin-3-yl)methanone

C13H24N2O — CID 43211901

IUPACazocan-1-yl(piperidin-3-yl)methanone
SMILESO=C(C1CCCNC1)N1CCCCCCC1
InChIInChI=1S/C13H24N2O/c16-13(12-7-6-8-14-11-12)15-9-4-2-1-3-5-10-15/h12,14H,1-11H2
InChIKeyCXNQOXUFORVBEI-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds1

About azocan-1-yl(piperidin-3-yl)methanone

azocan-1-yl(piperidin-3-yl)methanone (PubChem CID 43211901) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is azocan-1-yl(piperidin-3-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl(piperidin-3-yl)methanone
PubChem CID43211901
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameazocan-1-yl(piperidin-3-yl)methanone
SMILESO=C(C1CCCNC1)N1CCCCCCC1
InChIInChI=1S/C13H24N2O/c16-13(12-7-6-8-14-11-12)15-9-4-2-1-3-5-10-15/h12,14H,1-11H2
InChIKeyCXNQOXUFORVBEI-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
4-(piperidine-3-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493567
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
1,4-oxazepan-4-yl-[(3S)-piperidin-3-yl]methanone
CID 81141474
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
[(3S)-3-hydroxypiperidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 93086400
2-methyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119297856
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 119281331
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl(piperidin-3-yl)methanone?
The IUPAC name of azocan-1-yl(piperidin-3-yl)methanone (CID 43211901) is azocan-1-yl(piperidin-3-yl)methanone.
What is the SMILES notation for azocan-1-yl(piperidin-3-yl)methanone?
The canonical SMILES for azocan-1-yl(piperidin-3-yl)methanone is O=C(C1CCCNC1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl(piperidin-3-yl)methanone?
The InChIKey is CXNQOXUFORVBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(12-7-6-8-14-11-12)15-9-4-2-1-3-5-10-15/h12,14H,1-11H2.
What are the key properties of azocan-1-yl(piperidin-3-yl)methanone?
azocan-1-yl(piperidin-3-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl(piperidin-3-yl)methanone is sourced from PubChem (CID 43211901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).